ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001096
RECORD_TITLE: 3ALPHA,4ALPHA,5BETA-TRI(TRIMETHYLSILYLOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID TRIMETHYLSILYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 3ALPHA,4ALPHA,5BETA-TRI(TRIMETHYLSILYLOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL 3ALPHA,4ALPHA,5BETA-TRI(TRIMETHYLSILOXY)-1-CYCLOHEXENE-1-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H42O5Si4
CH$EXACT_MASS: 462.21093
CH$SMILES: C[Si](C)(C)OC(=O)C(C1)=CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)1
CH$IUPAC: InChI=1S/C19H42O5Si4/c1-25(2,3)21-16-13-15(19(20)24-28(10,11)12)14-17(22-26(4,5)6)18(16)23-27(7,8)9/h13,16-18H,14H2,1-12H3/t16-,17-,18-/m0/s1
CH$LINK: INCHIKEY LMFAUEGOCMAFIW-BZSNNMDCSA-N
AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052b-4980000000-3d3f2102d2032dcab880
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  45 38.3 383
  73 15 150
  74 33.5 335
  75 3.15 32
  103 6.8 68
  133 17.1 171
  147 99.99 999
  148 1.5 15
  149 9.5 95
  189 24.6 246
  191 10.9 109
  193 0.82 8
  204 7.5 75
  205 73.9 739
  206 32.1 321
  254 1.43 14
  255 22.6 226
  282 9.5 95
  283 6.1 61
  357 1.3 13
  372 11.6 116
  373 4.7 47
//
